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2-Hydroxy-5-methoxybenzimidazole

CAT: 0572-TRC-H946100-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H946100-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2080-75-3
Synonyms
5-Methoxy-1,3-dihydrobenzimidazol-2-one
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
COc1ccc2NC(=O)Nc2c1
Molecular Formula
C8 H8 N2 O2
Molecular Weight
164.16
InChI
InChI=1S/C8H8N2O2/c1-12-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)
Additionnal Information
IUPAC name: 5-methoxy-1,3-dihydrobenzimidazol-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1,3-Dihydro-5-methoxy-2H-benzimidazol-2-one

See also: 5-methoxy-2,3-dihydro-1H-1,3-benzodiazol-2-one (annotation moved to).

CAS Number2080-75-3
PubChem CID591101
IUPAC Name5-methoxy-1,3-dihydrobenzimidazol-2-one
Molecular FormulaC8H8N2O2
Molecular Weight164.16
XLogP0.5
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity195
SMILES
COC1=CC2=C(C=C1)NC(=O)N2
InChI
InChI=1S/C8H8N2O2/c1-12-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)
InChIKey
AUPLVAKFTYFHTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dihydro-5-methoxy-2H-benzimidazol-2-one
CAS: 2080-75-3
CID: 591101
Formula: C8H8N2O2
MW: 164.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.16
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass164.058577502
Monoisotopic Mass164.058577502
Topological Polar Surface Area50.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity195
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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